software:namd2

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NAMD

http://www.ks.uiuc.edu/Research/namd/

NAMD (Not (just) Another Molecular Dynamics program) is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of cores for typical simulations and beyond 200,000 cores for the largest simulations.

Version Compiler MPI FFT Library Path
2.9 GCC 4.7.0 intelmpi 4.0.3.008 ACML 5.2.0 fma4 /cluster/Apps/NAMD/gcc_4.7.0/impi_4.0.3.008/
OpenMPI 1.6.1 /cluster/Apps/NAMD/gcc_4.7.0/openmpi_1.6.1/
Intel Composer 2011 SP1 10.319 intelmpi 4.0.3.008 FFTW_3.3.3 /cluster/Apps/NAMD/intel-studio-2011-sp1-10/impi_4.0.3.008/
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  • Last modified: 2013/02/14 11:17
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